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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:Paenilamicin B2
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Accession:CHEBI:222146 term browser browse the term
Synonyms:exact_synonym: (2R,3S,5R)-8-amino-N-[(2R)-1-[[(2S)-1-[[(2R,3R)-3-amino-1-[[(2S,3R,5S)-7-[[(2S)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-3-(methylamino)-1-oxopropan-2-yl]amino]-1,3,5-trihydroxy-7-oxoheptan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-3-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2,3,5-trihydroxyoctanamide
 related_synonym: Formula=C42H86N16O13;   InChI=1S/C42H86N16O13/c1-24(54-41(71)36(66)32(63)17-25(60)9-6-12-44)37(67)56-29(21-49-3)39(69)58-35(27(45)10-7-15-52-42(46)47)40(70)57-30(23-59)31(62)18-26(61)19-33(64)55-28(20-48-2)38(68)53-22-34(65)51-16-8-14-50-13-5-4-11-43/h24-32,35-36,48-50,59-63,66H,4-23,43-45H2,1-3H3,(H,51,65)(H,53,68)(H,54,71)(H,55,64)(H,56,67)(H,57,70)(H,58,69)(H4,46,47,52)/t24-,25-,26+,27-,28+,29+,30+,31-,32+,35-,36-/m1/s1;   InChIKey=VNMHQYJCXIYPQH-CIRCOHDCSA-N;   SMILES=O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]([C@H](O)C[C@H](O)CC(=O)N[C@H](C(=O)NCC(=O)NCCCNCCCCN)CNC)CO)[C@H](N)CCCN=C(N)N)CNC)C)[C@H](O)[C@@H](O)C[C@H](O)CCCN


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  CHEBI ontology 0
    chemical entity 0
      group 0
        organic group 0
          amino-acid residue 0
            peptide 0
              Paenilamicin B2 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                Paenilamicin B2 0
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